Ab initio study of phase boundaries in nickel along the bcc-fcc transformation path
| Authors | |
|---|---|
| Year of publication | 2005 |
| Type | Article in Proceedings |
| Conference | V. pracovní setkání fyzikálních chemiků a elektrochemiků |
| MU Faculty or unit | |
| Citation | |
| Field | Solid matter physics and magnetism |
| Keywords | electronic structure; magnetism; displacive phase transformations |
| Description | Total energies of nickel as a function of volume and tetragonal deformation for various magnetic phases were calculated and the phase boundary between the FM and NM modifications was found. The calculated contour plots can be used for the understanding and prediction of lattice parameters and magnetic states of Ni(001) films on various metallic substrates. |
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